查数据/反应详情

HRID95187

反应详情

EQUATION

反应方程式

HRID 95187 的结构方程式

REACTANTS

反应物

2

结构：CCOC(C)=O

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)C(CC(C(=O)OC(C)(C)C)[N+](=O)[O-])NC(=O)Cc1ccccc1

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)OC(=O)C(N)CC(NC(=O)Cc1ccccc1)C(=O)OC(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c67907501086435db4dee919755562fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[N+:1]([O-:2])(=[O:3])[CH:4]([CH2:5][CH:6]([NH:7][C:8](=[O:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30]>>[NH2:1][CH:4]([CH2:5][CH:6]([NH:7][C:8](=[O:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30]

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